Pr3NdZn
Alexandria ALEXAlex-ID: agm017363707 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_9950_spg2
PrNd3Zn2 PrNdZn2 Pr
2025-01-19 14:13:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017363707).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm017363707
data_agm017363707
_cell_length_a 11.87129
_cell_length_b 11.87129
_cell_length_c 7.42131
_cell_angle_alpha 81.01146
_cell_angle_beta 98.98854
_cell_angle_gamma 162.01781
_cell_volume 318.81635
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.41917 0.58083 0.45915 1.00000
Pr2 Pr 0.58083 0.41917 0.54085 1.00000
Pr3 Pr 0.19469 0.80531 0.34701 1.00000
Pr4 Pr 0.80531 0.19469 0.65299 1.00000
Pr5 Pr 0.58084 0.41916 0.03970 1.00000
Pr6 Pr 0.41916 0.58084 0.96030 1.00000
Nd1 Nd 0.19510 0.80490 0.84772 1.00000
Nd2 Nd 0.80490 0.19510 0.15228 1.00000
Zn1 Zn 0.99971 0.00029 0.74983 1.00000
Zn2 Zn 0.00029 0.99971 0.25017 1.00000
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